5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide

C15H13N3O2S — CID 16953644

IUPAC5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cc(C)on3)n2)cc1
InChIInChI=1S/C15H13N3O2S/c1-9-3-5-11(6-4-9)13-8-21-15(16-13)17-14(19)12-7-10(2)20-18-12/h3-8H,1-2H3,(H,16,17,19)
InChIKeyKSKFCQORCQYKKA-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.67
Rot. Bonds3

About 5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 16953644) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID16953644
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cc(C)on3)n2)cc1
InChIInChI=1S/C15H13N3O2S/c1-9-3-5-11(6-4-9)13-8-21-15(16-13)17-14(19)12-7-10(2)20-18-12/h3-8H,1-2H3,(H,16,17,19)
InChIKeyKSKFCQORCQYKKA-UHFFFAOYSA-N
XLogP3.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 153338934
5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2462544
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 153338927
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8873073
5-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 17249187
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 2999703
methane;4-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 158194768
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 21205014
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 3401823

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide (CID 16953644) is 5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide is Cc1ccc(-c2csc(NC(=O)c3cc(C)on3)n2)cc1.
What is the InChIKey of 5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is KSKFCQORCQYKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-3-5-11(6-4-9)13-8-21-15(16-13)17-14(19)12-7-10(2)20-18-12/h3-8H,1-2H3,(H,16,17,19).
What are the key properties of 5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 16953644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).